3-cyanopropyl 2-chloranyl-5-[phenyl(prop-2-enyl)sulfamoyl]benzoate

Systemtic Name: 3-cyanopropyl 2-chloranyl-5-[phenyl(prop-2-enyl)sulfamoyl]benzoate Openeye Name: 3-cyanopropyl 5-[allyl(phenyl)sulfamoyl]-2-chloro-benzoate CAS Name: 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoate Traditional Name: 5-[allyl(phenyl)sulfamoyl]-2-chloro-benzoic acid 3-cyanopropyl ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCCCC#N

Isomeric SMILES

C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCCCC#N

InChI

InChI=1S/C20H19ClN2O4S/c1-2-13-23(16-8-4-3-5-9-16)28(25,26)17-10-11-19(21)18(15-17)20(24)27-14-7-6-12-22/h2-5,8-11,15H,1,6-7,13-14H2